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MFCD17167241 molecular structure
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1,2,3,4-tetrahydroquinolin-2-ylmethanamine dihydrochloride

ChemBase ID: 270254
Molecular Formular: C10H16Cl2N2
Molecular Mass: 235.15344
Monoisotopic Mass: 234.06905388
SMILES and InChIs

SMILES:
N1c2c(CCC1CN)cccc2.Cl.Cl
Canonical SMILES:
NCC1CCc2c(N1)cccc2.Cl.Cl
InChI:
InChI=1S/C10H14N2.2ClH/c11-7-9-6-5-8-3-1-2-4-10(8)12-9;;/h1-4,9,12H,5-7,11H2;2*1H
InChIKey:
RYXGGDJFFDBBLL-UHFFFAOYSA-N

Cite this record

CBID:270254 http://www.chembase.cn/molecule-270254.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,2,3,4-tetrahydroquinolin-2-ylmethanamine dihydrochloride
IUPAC Traditional name
1,2,3,4-tetrahydroquinolin-2-ylmethanamine dihydrochloride
Synonyms
1,2,3,4-tetrahydroquinolin-2-ylmethanamine dihydrochloride
MDL Number
MFCD17167241
PubChem SID
164326164
PubChem CID
50988416

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-69046 external link Add to cart Please log in.
Data Source Data ID
PubChem 50988416 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.8075014  LogD (pH = 7.4) -0.982109 
Log P 1.1932644  Molar Refractivity 51.7824 cm3
Polarizability 19.578012 Å3 Polar Surface Area 38.05 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Melting Point
209 - 211°C expand Show data source
Hydrophobicity(logP)
1.408 expand Show data source
Purity
95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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